2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid

C22H24N2O4 — CID 120546347

IUPAC2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCCCC1C(=O)O
InChIInChI=1S/C22H24N2O4/c1-22(14-6-5-9-18(22)21(27)28)24-20(26)16-12-10-15(11-13-16)19(25)23-17-7-3-2-4-8-17/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3,(H,23,25)(H,24,26)(H,27,28)
InChIKeyQGQCDHWVHHTNBT-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.70
Rot. Bonds5

About 2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid

2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120546347) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120546347
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCCCC1C(=O)O
InChIInChI=1S/C22H24N2O4/c1-22(14-6-5-9-18(22)21(27)28)24-20(26)16-12-10-15(11-13-16)19(25)23-17-7-3-2-4-8-17/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3,(H,23,25)(H,24,26)(H,27,28)
InChIKeyQGQCDHWVHHTNBT-UHFFFAOYSA-N
XLogP3.70
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120545331
2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546278
2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506
2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120545135
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545944
2-methyl-2-[[4-(oxan-4-yloxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120545390
2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545119
2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120690148
2-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545898
2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545480
2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 167823229
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545136

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 120546347) is 2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid is CC1(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCCCC1C(=O)O.
What is the InChIKey of 2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is QGQCDHWVHHTNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-22(14-6-5-9-18(22)21(27)28)24-20(26)16-12-10-15(11-13-16)19(25)23-17-7-3-2-4-8-17/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120546347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).